N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine

C19H29NO — CID 107293748

IUPACN-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)C(C)(C)CO2)C1CCCC1C
InChIInChI=1S/C19H29NO/c1-5-20-18(15-8-6-7-13(15)2)14-9-10-17-16(11-14)19(3,4)12-21-17/h9-11,13,15,18,20H,5-8,12H2,1-4H3
InChIKeyOMEGZSRYOUMNKY-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.44
Rot. Bonds4

About N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine

N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107293748) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107293748
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)C(C)(C)CO2)C1CCCC1C
InChIInChI=1S/C19H29NO/c1-5-20-18(15-8-6-7-13(15)2)14-9-10-17-16(11-14)19(3,4)12-21-17/h9-11,13,15,18,20H,5-8,12H2,1-4H3
InChIKeyOMEGZSRYOUMNKY-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293750
N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methyl]ethanamine
CID 107293755
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 107293682
5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294248
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107293658
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107177387
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
5-(1-chloro-2-cycloheptylethyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294337
N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293705

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine (CID 107293748) is N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine is CCNC(c1ccc2c(c1)C(C)(C)CO2)C1CCCC1C.
What is the InChIKey of N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is OMEGZSRYOUMNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-20-18(15-8-6-7-13(15)2)14-9-10-17-16(11-14)19(3,4)12-21-17/h9-11,13,15,18,20H,5-8,12H2,1-4H3.
What are the key properties of N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine?
N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107293748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).